1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid

C51H93N3O8 — CID 3020056

IUPAC1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(C(=O)O)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C51H93N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-38(40(55)56)50(42(59)60,36-31-46(6,7)53(15)47(8,9)32-36)51(43(61)62,37-33-48(10,11)54(16)49(12,13)34-37)39(41(57)58)35-29-44(2,3)52(14)45(4,5)30-35/h35-39H,17-34H2,1-16H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyGCTMYCRAQQQAHN-UHFFFAOYSA-N
MW876.32 g/mol
LogP10.93
Rot. Bonds22

About 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid

1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid (PubChem CID 3020056) has the molecular formula C51H93N3O8 and a molecular weight of 876.32 g/mol. Its IUPAC name is 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid
PubChem CID3020056
Molecular FormulaC51H93N3O8
Molecular Weight876.32 g/mol
Exact Mass875.70
IUPAC Name1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(C(=O)O)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C51H93N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-38(40(55)56)50(42(59)60,36-31-46(6,7)53(15)47(8,9)32-36)51(43(61)62,37-33-48(10,11)54(16)49(12,13)34-37)39(41(57)58)35-29-44(2,3)52(14)45(4,5)30-35/h35-39H,17-34H2,1-16H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyGCTMYCRAQQQAHN-UHFFFAOYSA-N
XLogP10.93
TPSA158.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.32
LogP ≤ 510.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Tris(1,2,2,6,6-pentamethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate
CID 44145116
1,2,3-Tris(2,2,6,6-tetramethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate
CID 44147901
2,2-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid
CID 11706150
1-Hexadecyl 2,3,4-tris(1,2,2,6,6-pentamethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate
CID 44147606
1-Hexadecyl 2,3,4-tris(2,2,6,6-tetramethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate
CID 44147701
1,2,3-Tris(2,2,6,6-tetramethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid
CID 3020054
1,2,3-Tris(1,2,2,6,6-pentamethylpiperidin-4-yl)icosane-1,2,3,4-tetracarboxylic acid
CID 3020058
1,1,2,3-Tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 11721931
1,2,3,4-Tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 14454720
1-(1,2,2,6,6-Pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 17771057
2,2-Bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 18352045
1,1-Bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 18358472

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid (CID 3020056) is 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid is CCCCCCCCCCCCCC(C(=O)O)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid?
The InChIKey is GCTMYCRAQQQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H93N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-38(40(55)56)50(42(59)60,36-31-46(6,7)53(15)47(8,9)32-36)51(43(61)62,37-33-48(10,11)54(16)49(12,13)34-37)39(41(57)58)35-29-44(2,3)52(14)45(4,5)30-35/h35-39H,17-34H2,1-16H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62).
What are the key properties of 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid?
1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid has a molecular weight of 876.32 g/mol, XLogP of 10.93, 22 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 3020056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).